D2B7WM -OEChem-06062108542D 47 51 0 0 0 0 0 0 0999 V2000 2.3502 0.2710 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6412 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3702 1.9914 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7873 -1.8992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5574 -1.8887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1834 -3.4233 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3237 2.1426 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1840 3.6459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4514 -2.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3174 -1.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4514 -3.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1834 -2.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5690 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3013 -0.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1994 -0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6514 -2.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5574 -3.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3174 -3.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0934 -1.9165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6514 -3.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1014 -0.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7088 -0.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4407 -0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1955 0.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7204 0.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4523 0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5921 1.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0596 1.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 1.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3276 1.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0558 2.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1878 2.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7608 -0.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5646 -4.5779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3174 -4.5433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6267 -2.2327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1156 -3.7562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6396 -0.5669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1683 -0.6825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9741 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9928 0.9049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5993 1.7311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5977 0.8413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7918 0.8305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5915 2.4613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7197 3.9580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6458 3.9538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 29 1 0 0 0 0 3 29 1 0 0 0 0 4 16 2 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 6 12 2 0 0 0 0 6 18 1 0 0 0 0 7 30 1 0 0 0 0 7 32 2 0 0 0 0 8 32 1 0 0 0 0 8 46 1 0 0 0 0 8 47 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 11 17 1 0 0 0 0 11 18 2 0 0 0 0 12 19 1 0 0 0 0 13 22 1 0 0 0 0 13 23 2 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 21 1 0 0 0 0 15 24 1 0 0 0 0 16 20 1 0 0 0 0 17 20 2 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 21 2 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 25 2 0 0 0 0 22 39 1 0 0 0 0 23 26 1 0 0 0 0 23 40 1 0 0 0 0 24 28 1 0 0 0 0 24 30 2 0 0 0 0 25 27 1 0 0 0 0 25 29 1 0 0 0 0 26 27 2 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 28 31 2 0 0 0 0 28 43 1 0 0 0 0 30 44 1 0 0 0 0 31 32 1 0 0 0 0 31 45 1 0 0 0 0 M END $$$$